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  2. Accuracy and precision - Wikipedia

    en.wikipedia.org/wiki/Accuracy_and_precision

    Accuracy is also used as a statistical measure of how well a binary classification test correctly identifies or excludes a condition. That is, the accuracy is the proportion of correct predictions (both true positives and true negatives) among the total number of cases examined. [10]

  3. Computational chemistry - Wikipedia

    en.wikipedia.org/wiki/Computational_chemistry

    Chemical accuracy is the accuracy required to make realistic chemical predictions and is generally considered to be 1 kcal/mol or 4 kJ/mol. To reach that accuracy in an economic way, it is necessary to use a series of post-Hartree–Fock methods and combine the results. These methods are called quantum chemistry composite methods. [56]

  4. Analytical quality control - Wikipedia

    en.wikipedia.org/wiki/Analytical_quality_control

    Common validation characteristics include: accuracy, precision (repeatability and intermediate precision), specificity, detection limit, quantitation limit, linearity, range, and robustness. In cases such as changes in synthesis of the drug substance, changes in composition of the finished product, and changes in the analytical procedure ...

  5. Significant figures - Wikipedia

    en.wikipedia.org/wiki/Significant_figures

    Hoping to reflect the way in which the term "accuracy" is actually used in the scientific community, there is a recent standard, ISO 5725, which keeps the same definition of precision but defines the term "trueness" as the closeness of a given measurement to its true value and uses the term "accuracy" as the combination of trueness and precision.

  6. Mass (mass spectrometry) - Wikipedia

    en.wikipedia.org/wiki/Mass_(mass_spectrometry)

    The accurate mass (more appropriately, the measured accurate mass [9]) is an experimentally determined mass that allows the elemental composition to be determined. [10] For molecules with mass below 200 Da , 5 ppm accuracy is often sufficient to uniquely determine the elemental composition.

  7. Glossary of chemistry terms - Wikipedia

    en.wikipedia.org/wiki/Glossary_of_chemistry_terms

    Also acid ionization constant or acidity constant. A quantitative measure of the strength of an acid in solution expressed as an equilibrium constant for a chemical dissociation reaction in the context of acid-base reactions. It is often given as its base-10 cologarithm, p K a. acid–base extraction A chemical reaction in which chemical species are separated from other acids and bases. acid ...

  8. Standard solution - Wikipedia

    en.wikipedia.org/wiki/Standard_solution

    In analytical chemistry, a standard solution (titrant or titrator) is a solution containing an accurately known concentration.Standard solutions are generally prepared by dissolving a solute of known mass into a solvent to a precise volume, or by diluting a solution of known concentration with more solvent. [1]

  9. Precision and recall - Wikipedia

    en.wikipedia.org/wiki/Precision_and_recall

    In a classification task, the precision for a class is the number of true positives (i.e. the number of items correctly labelled as belonging to the positive class) divided by the total number of elements labelled as belonging to the positive class (i.e. the sum of true positives and false positives, which are items incorrectly labelled as belonging to the class).